N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide

C12H14N4O2S — CID 55026068

IUPACN-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
SMILESNc1ccc(NS(=O)(=O)CCc2ccccn2)cn1
InChIInChI=1S/C12H14N4O2S/c13-12-5-4-11(9-15-12)16-19(17,18)8-6-10-3-1-2-7-14-10/h1-5,7,9,16H,6,8H2,(H2,13,15)
InChIKeyWQHPVRASZJOPNU-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.04
Rot. Bonds5

About N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide

N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide (PubChem CID 55026068) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
PubChem CID55026068
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
SMILESNc1ccc(NS(=O)(=O)CCc2ccccn2)cn1
InChIInChI=1S/C12H14N4O2S/c13-12-5-4-11(9-15-12)16-19(17,18)8-6-10-3-1-2-7-14-10/h1-5,7,9,16H,6,8H2,(H2,13,15)
InChIKeyWQHPVRASZJOPNU-UHFFFAOYSA-N
XLogP1.04
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-3-pyridinyl)-2-phenylethanesulfonamide
CID 60792395
N-[4-(1-aminoethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 60864926
N-(2-aminophenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864371
N-(4-chloro-3-hydroxyphenyl)-2-pyridin-2-ylethanesulfonamide
CID 64786737
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
N-(3-amino-2,6-dimethylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864548
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-pyridin-2-ylethanesulfonamide
CID 3667629
2-pyridin-2-yl-N-(1H-1,2,4-triazol-5-yl)ethanesulfonamide
CID 62945798
N-(6-amino-3-pyridinyl)prop-2-ene-1-sulfonamide
CID 79673500
N-(3-phenylpropyl)-2-pyridin-2-ylethanesulfonamide
CID 74224453
N-(2,6-difluoro-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide
CID 103098114
N-(3-aminopentyl)-2-pyridin-2-ylethanesulfonamide
CID 113498094

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide (CID 55026068) is N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide is Nc1ccc(NS(=O)(=O)CCc2ccccn2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide?
The InChIKey is WQHPVRASZJOPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c13-12-5-4-11(9-15-12)16-19(17,18)8-6-10-3-1-2-7-14-10/h1-5,7,9,16H,6,8H2,(H2,13,15).
What are the key properties of N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide?
N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide has a molecular weight of 278.34 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-2-pyridin-2-ylethanesulfonamide is sourced from PubChem (CID 55026068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).